Geometry & MOs

Info

ID:	216682
PubChem CID:	85086602
Reduced:	NSO2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	292.117155
ΔH_f, kcal/mol:	-73.71
Dipole, Da:	5.7
IP(EA), eV:	-8.28(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-amino-2-(2-methylpropanoyl)-3-oxo-3aH-pyrazolo[3,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC(=S)N(C1C)CC2=CC=CC=C2

DOS

IR

Vibrations